SCHEMBL24477778

SCHEMBL24477778

CS(=O)(=O)N1CCC(Nc2ncc(C(F)(F)F)c(O[C@H]3CCC[C@H]3O)n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 20/20 0.54
▸ CDK2 P24941 20/20 0.54
▸ CCND1 P24385 15/20 0.54
▸ CDK6 Q00534 15/20 0.54
▸ CDK1 P06493 7/20 0.54
▸ CCNB1 P14635 7/20 0.54
▸ CDK4 P11802 7/20 0.54
▸ CCND3 P30281 7/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25665799 1.00 CCNE1 (0.54) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL24477913 0.98 CCNE1 (0.56) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL24477878 0.98 CCNE1 (0.56) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL24477891 0.98 CCNE1 (0.56) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL24477803 0.97 CDK2 (0.57) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL24477880 0.97 CDK2 (0.57) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL24477893 0.97 CDK2 (0.57) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL24477804 0.89 CDK2 (0.47) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL24477968 0.89 CDK2 (0.47) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL24477970 0.89 CDK2 (0.47) CCNE1CDK2CCND1CDK6CDK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023093769-A1 AMINOHETEROARYL KINASE INHIBITORS ANRUI BIOMEDICAL TECHNOLOGY (GUANGZHOU) CO.,LTD. (CN) 2023-06-01 — — WO disclosed
WO-2022111621-A1 AMINOHETEROARYL KINASE INHIBITORS ANRUI BIOMEDICAL TECHNOLOGY (GUANGZHOU) CO., LTD. (CN) 2022-06-02 — — WO disclosed
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